| Name |
O-12'-Methylergocornine |
| Formula |
C32H41N5O5 |
| Mw |
575.31076946 |
| CAS RN |
112767-18-7 |
| C_ID |
C00011231
, 
|
| InChIKey |
NLMADGWRGZRDLJ-DMOPSFABNA-N |
| InChICode |
InChI=1S/C32H41N5O5/c1-17(2)27-29(39)36-12-8-11-25(36)32(41-6)37(27)30(40)31(42-32,18(3)4)34-28(38)20-13-22-21-9-7-10-23-26(21)19(15-33-23)14-24(22)35(5)16-20/h7,9-10,13,15,17-18,20,24-25,27,33H,8,11-12,14,16H2,1-6H3,(H,34,38)/t20-,24-,25+,27+,31-,32+/m1/s1 |
| SMILES |
CO[C@@]12O[C@](NC(=O)[C@@H]3C=C4c5cccc6[nH]cc(c56)C[C@H]4N(C)C3)(C(C)C)C(=O)N1[C@@H](C(C)C)C(=O)N1CCC[C@H]12 |
| Start Substs in Alk. Biosynthesis (Prediction) |
L-Trp L-Pro IPP |
| Organism |
| Kingdom |
Family |
Species |
Reference |
| Fungi | Clavicipitaceae | Claviceps purpurea  | Ref. |
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